5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide

C13H21N3O2 — CID 82960995

IUPAC5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
SMILESCOCCN(c1ccc(N)cc1C(N)=O)C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)16(6-7-18-3)12-5-4-10(14)8-11(12)13(15)17/h4-5,8-9H,6-7,14H2,1-3H3,(H2,15,17)
InChIKeyNOJHFFHLEJIOEO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.23
Rot. Bonds6

About 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide

5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide (PubChem CID 82960995) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
PubChem CID82960995
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
SMILESCOCCN(c1ccc(N)cc1C(N)=O)C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)16(6-7-18-3)12-5-4-10(14)8-11(12)13(15)17/h4-5,8-9H,6-7,14H2,1-3H3,(H2,15,17)
InChIKeyNOJHFFHLEJIOEO-UHFFFAOYSA-N
XLogP1.23
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 82948360
5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide
CID 55221201
methyl 5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]benzoate
CID 54987497
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
5-amino-2-[methyl(3-methylbutyl)amino]benzamide
CID 61429127
ethyl 5-amino-2-[2-methoxyethyl(methyl)amino]benzoate
CID 61428258
4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
CID 113467671
2-[2-methoxyethyl(propan-2-yl)amino]-5-nitrobenzoic acid
CID 82951285
5-amino-2-(2-methoxyethylsulfanyl)benzamide
CID 61306151
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42815460
2-amino-3-fluoro-6-[2-methoxyethyl(propan-2-yl)amino]benzoic acid
CID 83207318
1-N-butan-2-yl-1-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine
CID 55001536

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide?
The IUPAC name of 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide (CID 82960995) is 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide?
The canonical SMILES for 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide is COCCN(c1ccc(N)cc1C(N)=O)C(C)C.
What is the InChIKey of 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide?
The InChIKey is NOJHFFHLEJIOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16(6-7-18-3)12-5-4-10(14)8-11(12)13(15)17/h4-5,8-9H,6-7,14H2,1-3H3,(H2,15,17).
What are the key properties of 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide?
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide is sourced from PubChem (CID 82960995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).